CID 26694

Chlorfenprop

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
C1=CC(=CC=C1CC(C(=O)O)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKey
QCTALYCTVMUWPT-UHFFFAOYSA-N
Compound name
2-chloro-3-(4-chlorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7212
Patents

217.99013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99741 139.4
[M+Na]+ 240.97935 148.3
[M-H]- 216.98285 141.4
[M+NH4]+ 236.02395 158.6
[M+K]+ 256.95329 143.3
[M+H-H2O]+ 200.98739 136.1
[M+HCOO]- 262.98833 151.7
[M+CH3COO]- 277.00398 183.3
[M+Na-2H]- 238.96480 143.1
[M]+ 217.98958 142.0
[M]- 217.99068 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe